Materials Data on Y5Mg24 by Materials Project

Abstract

Mg24Y5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.87–3.43 Å. There are a spread of Mg–Y bond distances ranging from 3.48–3.56 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Y atoms. There are two shorter (3.32 Å) and four longer (3.35 Å) Mg–Mg bond lengths. There are one shorter (3.24 Å) and one longer (3.65 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom. The Y–Y bond length is 3.67 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Y atoms.